기본 정보
- CAS
76498-29-8- 표준 SMILES
CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)O)[C@@H](O)C[C@H]1O- InChIKey
DLJKPYFALUEJCK-MRVZPHNRSA-N- 분자식
- C21H36O5
- 평균 분자량
- 368.5 g/mol
- 단동위원소 질량
- 368.25627424
이름 및 식별자
- 우선 이름
- (E)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyloct-1-enyl)cyclopentyl)-5-heptenoic acid
- IUPAC
- (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
- 영어명
- trans-Carboprost
- 분자식
- C21H36O5
- 분자량
- 368.51
이름 및 동의어
trans-Carboprost76498-29-8V0STI57XNUtrans-Carboprost [USP]UNII-V0STI57XNUProsta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5E,9alpha,11alpha,13E,15S)-(E)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyloct-1-enyl)cyclopentyl)-5-heptenoic acidTRANS-CARBOPROST [USP IMPURITY]trans-Carboprost (USP)TRANS-CARBOPROST (USP IMPURITY)RefChem:196547PROSTA-5,13-DIEN-1-OIC ACID, 9,11,15-TRIHYDROXY-15-METHYL-, (5E,9.ALPHA.,11.ALPHA.,13E,15S)-
이름 더 보기
(5E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic AcidCarprost impurity ACarboprost Impurity 2trans-Carboprost Impurity5,6-trans-Carboprost Tromethamine SaltCarboprost Trometamol EP Impurity A (trans-Carboprost)Carboprost Trometamol EP Impurity A：Carboprost Trometamol Impurity A
Carboprost Trometamol EP Impurity A(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid(E)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acidSCHEMBL340643CHEMBL1909299DLJKPYFALUEJCK-MRVZPHNRSA-NProsta-5,13-dien-1-oicacid, 9,11,15-trihydroxy-15-methyl-, (5Z,9a,11a,13E,15S)-AKOS015892797
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 98 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 473
물리화학적 성질
- 안정성
- 빛에 민감하고 용액이 불안정함
화학 및 산업
응용 분야
용도trans-Carboprost is the 5-trans isomer of Carboprost (C177580); an analog of prostaglandin F2α. Oxytocic.
공급사33 곳
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